Butane, 2-ethoxy- - The NIST WebBook

Butane, 2-ethoxy-

• Formula: C6H14O
• Molecular weight: 102.1748
• IUPAC Standard InChI: InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3 Copy
• IUPAC Standard InChIKey: VSCUCHUDCLERMY-UHFFFAOYSA-N Copy
• CAS Registry Number: 2679-87-0
• Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file View 3d structure (requires JavaScript / HTML 5)
• Other names: Ether, sec-butyl ethyl; sec-Butyl Ethyl ether; Ethyl sec-butyl ether; sec-C4H9OC2H5; 2-Ethoxybutane
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas Chromatography
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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments: LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.2 ± 0.1	EI	Audier, Bouchoux, et al., 1982	LBLHLM
9.32	EI	Holmes, Fingas, et al., 1981	LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C3H7O+	10.1 ± 0.1	C2H5	EI	Tsang and Harrison, 1970	RDSH
C4H8+	10.5 ± 0.1	C2H6O	EI	Audier, Bouchoux, et al., 1982	LBLHLM
C4H9O+	9.7 ± 0.1	C2H5	EI	Audier, Bouchoux, et al., 1982	LBLHLM

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

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Owner	NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
NIST MS number	1185

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References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Audier, Bouchoux, et al., 1982 Audier, H.E.; Bouchoux, G.; Hoppilliard, Y.; Milliet, A., The mechanism of formation of [C4H9O]+ ions from isobutyl etyhyl ether, Org. Mass Spectrom., 1982, 17, 382. [all data]

Holmes, Fingas, et al., 1981 Holmes, J.L.; Fingas, M.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations, Can. J. Chem., 1981, 59, 80. [all data]

Tsang and Harrison, 1970 Tsang, C.W.; Harrison, A.G., Four-centred rearrangements in the mass spectra of aliphatic ethers, Org. Mass Spectrom., 1970, 3, 647. [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:

  AE	Appearance energy

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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